NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1311 8.3101 121.7884 55.8660 34.0131 175.6614 20 A 4.1949 7.6661 120.2817 50.1382 20.0475 173.6186 21 K 3.9715 8.8642 120.5081 57.7657 33.8140 176.5754 22 V 3.4619 8.4050 124.4177 65.8936 31.4709 177.8937 23 K 4.3667 8.0119 118.4970 58.5202 32.0283 176.7048 24 A 4.5396 8.1189 120.2178 52.7414 19.0574 177.3381 25 T 4.4042 8.1248 112.4891 63.4211 69.4815 173.9499 26 L 4.7944 7.3317 120.1214 52.5466 46.4279 177.5811 27 G 4.0446 7.7805 115.3898 45.7716 0.0000 175.4010 28 E 4.4457 8.6886 126.7271 54.9998 30.0314 175.4848 29 F 4.9520 9.5133 118.6952 54.9008 40.5610 174.8098 30 D 4.5951 8.6435 124.4756 53.2180 39.7791 176.7284 31 L 4.3661 7.7951 131.6187 55.6622 40.1786 178.0675 32 R 4.3877 8.4648 118.5403 56.7427 31.9567 174.4151 33 D 4.4718 7.3643 115.2325 53.8059 39.8627 175.3557 34 Y 4.4685 8.1498 124.8608 57.2624 37.9748 177.0058 35 R 4.3991 7.7522 120.2360 57.3993 33.4367 176.3468 36 N 4.6616 8.2499 116.7957 55.1572 34.9323 176.3115 37 V 3.0689 6.3017 111.2911 64.7240 33.2623 178.0502 38 E 3.9549 8.1199 118.7062 57.8228 29.8390 177.2172 39 V 4.2989 7.6425 116.6574 64.3746 34.2059 177.4788 40 L 4.2949 7.9181 116.9684 58.2504 41.5039 179.8207 41 K 4.1028 9.1976 117.9491 59.0840 32.1466 177.0896 42 R 4.3440 8.2453 117.3634 56.3574 30.2056 175.9901 43 F 4.7783 8.9643 114.6726 57.5291 40.8366 175.5009 44 L 5.4993 8.2141 122.6249 57.3268 41.1102 177.5873 45 S 3.8925 6.3170 115.8997 58.0534 68.0187 173.5725 46 E 4.5182 8.6423 117.1084 58.1437 31.4803 177.9469 47 T 4.6430 7.2431 113.7826 64.3535 68.6151 175.4414 48 G 4.1436 7.6160 106.6769 44.8627 0.0000 174.4413 49 K 4.2217 7.8686 120.1780 56.4516 33.5399 176.3603 50 I 4.4115 8.2466 123.8312 60.7860 37.3985 176.1779 51 L 4.2775 8.7035 127.9495 54.2812 42.3813 175.7960 52 P 4.6036 0.0000 0.0000 61.8987 32.4487 177.8048 53 R 4.2421 8.5406 118.7196 58.9742 30.0723 179.2042 54 R 4.0286 8.1007 115.1936 58.3261 30.3542 176.3020 55 R 4.5035 8.7899 115.5874 57.8548 32.6599 177.8260 56 T 3.9219 8.0984 107.5428 63.0505 68.5556 175.9577 57 G 4.0063 8.3557 108.0752 45.5952 0.0000 173.3899 58 L 4.4927 7.7383 119.3705 54.6504 42.9086 175.8169 59 S 4.6821 8.2247 113.4270 57.4946 64.7867 173.0747 60 A 4.0720 7.8503 119.4883 54.4754 17.8404 179.3230 61 K 3.7246 8.0296 115.2783 59.1883 32.5254 178.6791 62 E 3.8361 8.0039 118.5273 59.6700 29.3668 179.1652 63 Q 3.8314 8.1103 118.9391 59.4340 29.1247 178.2023 64 R 3.9708 7.7154 118.5822 59.7542 29.9728 179.0366 65 I 3.7140 7.7983 112.2275 63.6239 37.3459 178.0440 66 L 3.7607 7.6109 121.9935 57.9808 41.7825 178.3921 67 A 3.9384 8.2721 120.0995 56.0615 18.5458 179.0743 68 K 3.8963 8.2370 117.1612 58.6943 31.8759 179.2842 69 T 3.8912 7.8606 108.2584 65.7205 68.7331 176.0466 70 I 3.6003 7.9665 123.4107 63.8058 37.1308 178.3968 71 K 4.1890 8.7196 119.4611 59.1476 31.7055 179.3503 72 R 3.8521 8.4973 117.9949 59.0503 30.2524 178.2166 73 A 4.2372 8.1408 119.8422 55.6614 18.3044 179.3176 74 R 4.0704 7.5979 117.1420 59.0631 30.0014 179.2877 75 I 4.0041 7.5983 117.4257 64.1573 36.9398 177.6006 76 L 4.4077 8.1125 118.1809 54.2456 41.0853 178.2441 77 G 3.8759 8.4168 107.5543 46.0886 0.0000 175.4124 78 L 4.1553 7.4546 117.8768 55.5960 42.3347 176.7078 79 L 4.5577 7.1479 118.2131 52.6942 45.9512 173.0696 80 P 4.6237 0.0000 0.0000 62.3557 32.4561 176.1879 81 F 4.7370 8.2948 118.2577 59.9860 39.7304 175.9283 82 T 4.7303 7.5211 110.9865 61.6808 70.1202 172.2141 83 E 4.8421 9.0245 123.8800 54.7395 33.2508 174.7407 84 K 4.4252 8.6238 121.6300 56.2164 32.9373 176.8132 85 L 4.2023 8.4580 124.7375 54.8253 42.9043 176.1749 86 V 4.1829 7.8525 122.2471 61.7213 33.8895 171.9160 87 R 3.6942 8.6776 132.8536 55.9549 29.0134 175.7527 88 K 4.1620 8.5164 124.9833 56.4330 32.3317 175.6145 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 19 K 8.31 4.13 0.00 1.71 1.89 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 20 A 7.67 4.19 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.86 3.97 0.00 1.81 1.85 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.44 7.81 22 V 8.41 3.46 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.82 0.00 0.00 23 K 8.01 4.37 0.00 2.20 1.95 0.00 2.02 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.68 7.81 24 A 8.12 4.54 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.12 4.40 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 26 L 7.33 4.79 0.00 0.83 1.15 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.78 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.69 4.45 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 29 F 9.51 4.95 0.00 3.09 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.64 4.60 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.80 4.37 0.00 1.46 1.19 0.61 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.46 4.39 0.00 1.65 2.08 0.00 3.30 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 33 D 7.36 4.47 0.00 2.92 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.15 4.47 0.00 3.13 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.75 4.40 0.00 1.65 1.81 0.00 3.04 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.00 36 N 8.25 4.66 0.00 2.96 2.98 0.00 0.00 6.31 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 6.30 3.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.94 0.00 0.00 38 E 8.12 3.95 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 39 V 7.64 4.30 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 1.12 0.00 0.00 40 L 7.92 4.29 0.00 1.99 1.81 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.20 4.10 0.00 1.76 1.96 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.56 7.81 42 R 8.25 4.34 0.00 1.70 1.71 0.00 3.06 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.51 0.00 43 F 8.96 4.78 0.00 3.09 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.21 5.50 0.00 1.66 1.68 1.10 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 45 S 6.32 3.89 0.00 4.07 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.64 4.52 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 47 T 7.24 4.64 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 48 G 7.62 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.87 4.22 0.00 1.72 1.78 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.46 7.81 50 I 8.25 4.41 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.93 0.00 0.00 51 L 8.70 4.28 0.00 1.70 1.68 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.60 0.00 2.20 1.98 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 53 R 8.54 4.24 0.00 1.89 2.02 0.00 3.43 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 54 R 8.10 4.03 0.00 1.82 2.03 0.00 3.16 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 55 R 8.79 4.50 0.00 1.95 1.93 0.00 3.32 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 56 T 8.10 3.92 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 57 G 8.36 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.74 4.49 0.00 1.64 1.63 1.16 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.22 4.68 0.00 4.03 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.85 4.07 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.03 3.72 0.00 1.81 1.82 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.54 7.81 62 E 8.00 3.84 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 63 Q 8.11 3.83 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 64 R 7.72 3.97 0.00 2.08 1.96 0.00 3.16 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 65 I 7.80 3.71 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.69 0.91 0.00 0.00 66 L 7.61 3.76 0.00 1.50 1.74 0.30 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.27 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.24 3.90 0.00 1.85 1.74 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 69 T 7.86 3.89 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 70 I 7.97 3.60 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.95 0.00 0.00 71 K 8.72 4.19 0.00 1.96 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.71 7.81 72 R 8.50 3.85 0.00 1.89 1.88 0.00 3.09 0.00 0.00 2.75 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 73 A 8.14 4.24 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.60 4.07 0.00 2.05 1.70 0.00 3.42 0.00 0.00 3.81 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 75 I 7.60 4.00 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.84 0.96 0.00 0.00 76 L 8.11 4.41 0.00 1.88 1.71 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.42 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.45 4.16 0.00 1.72 1.73 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.15 4.56 0.00 1.57 1.44 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.62 0.00 2.17 2.01 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 81 F 8.29 4.74 0.00 3.11 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.52 4.73 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 83 E 9.02 4.84 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 84 K 8.62 4.43 0.00 1.67 1.79 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.39 7.81 85 L 8.46 4.20 0.00 1.59 1.57 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.85 4.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.94 0.00 0.00 87 R 8.68 3.69 0.00 1.98 1.95 0.00 3.25 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 88 K 8.52 4.16 0.00 1.72 1.63 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.34 7.81